SCHEMBL1938196

SCHEMBL1938196

Cc1nc(N)nc(NCCc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.56
APP P05067 2/20 0.56
ADORA2A P29274 3/20 0.54
ADORA2B P29275 3/20 0.54
ADORA1 P30542 3/20 0.54
ADORA3 P0DMS8 2/20 0.54
GAA P10253 1/20 0.53
CDK9 P50750 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ACKR3 P25106 1/20 0.50
HTR2B P41595 1/20 0.50
HDAC1 Q13547 1/20 0.49
TMIGD3 P0DMS9 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bicarbonate SCHEMBL1939053 0.94 HDAC1 (0.54) HTR7APPADORA2AADORA2BADORA1
SCHEMBL14869430 0.91 HTR7 (0.64) HTR7ADORA2AADORA1GAAACKR3
SCHEMBL21983872 0.90 HTR7 (0.63) HTR7GAAACKR3HTR2B
SCHEMBL2451092 0.89 APP (0.64) HTR7APPADORA2AADORA2BADORA1
SCHEMBL14869439 0.85 GAA (0.71) APPADORA2AGAAHTR2B
SCHEMBL14869438 0.84 HTR7 (0.60) HTR7APPADORA2AADORA2BADORA1
SCHEMBL29609013 0.84 HTR7 (0.60) HTR7APPADORA2AADORA2BADORA1
SCHEMBL14869457 0.83 APP (0.58) APPADORA2AADORA2BADORA1ADORA3
SCHEMBL14869410 0.81 CA1 (0.56) HTR7APPADORA2AADORA2BADORA1
SCHEMBL14869324 0.80 CA1 (0.44) HTR7APPADORA2AADORA2BADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2941245-B1 DELAYED-RELEASE COMPOSITION COMPRISING BIGUANIDE ANJI PHARMACEUTICALS INC (US) 2024-06-26 EP disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-20230285330-A9 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2023-09-14 US disclosed
US-20230285330-A9 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2023-09-14 US disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US disclosed
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2021-07-20 US disclosed
EP-2800561-B1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMA US LLC (US) 2020-08-19 EP disclosed
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2020-06-02 US disclosed
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2020-05-07 US disclosed
WO-2014107617-A1 DELAYED-RELEASE COMPOSITION COMPRISING BIGUANIDE ELCELYX THERAPEUTICS, INC. (US) 2014-07-10 WO disclosed
WO-2014011926-A1 COMPOSITIONS COMPRISING STATINS, BIGUANIDES AND FURTHER AGENTS FOR REDUCING CARDIOMETABOLIC RISK ELCELYX THERAPEUTICS, INC. (US) 2014-01-16 WO disclosed
WO-2013103919-A2 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 WO disclosed
US-20130177604-A1 Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 US disclosed
WO-2013103384-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 WO disclosed
US-20130177604-A1 Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 US disclosed
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-04-18 US disclosed
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-04-18 US disclosed
US-20110207926-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE HAMARI CHEMICALS, LTD. (JP) 2011-08-25 US disclosed
EP-2332925-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE Hamari Chemicals, Ltd. (JP) 2011-06-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 HTR7 1175/4885APP 2243/4885ADORA2A 808/4885
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 HTR7 1175/4885APP 2243/4885ADORA2A 808/4885
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 HTR7 1175/4885APP 2243/4885ADORA2A 808/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 HTR7 1175/4885APP 2243/4885ADORA2A 808/4885
US-20130177604-A1 Compositions and Methods of Treating Metabolic Disorders FABP2, GPR119, PNLIP HTR7 1495/4885APP 3836/4885ADORA2A 1870/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 HTR7 1175/4885APP 2243/4885ADORA2A 808/4885
US-20230285330-A9 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS FABP2, GPR119, PNLIP HTR7 1351/4885APP 3552/4885ADORA2A 1725/4885
US-20110207926-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE QDPR, DRD4, DRD1 HTR7 1595/4885APP 1162/4885ADORA2A 3963/4885
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG HTR7 1064/4885APP 2074/4885ADORA2A 785/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.